InterpretMSSpectrum: Interpreting High Resolution Mass Spectra
Version 1.0

Annotate and interpret deconvoluted mass spectra (mass*intensity pairs) from high resolution mass spectrometry devices.

Browse man pages Browse package API and functions Browse package files

AuthorJan Lisec [aut, cre]
Date of publication2017-05-10 17:02:12 UTC
MaintainerJan Lisec <jan.lisec@charite.de>
LicenseGPL-3
Version1.0
URL http://dx.doi.org/10.1021/acs.analchem.6b02743
Package repositoryView on CRAN
InstallationInstall the latest version of this package by entering the following in R:
install.packages("InterpretMSSpectrum")

Man pages

Adducts: Default adduct lists used by 'findMAIN'
apci_spectrum: apci_spectrum
chemical_elements: chemical_elements
CountChemicalElements: CountChemicalElements.
DetermineIsomainPeaks: DetermineIsomainPeaks.
esi_spectrum: esi_spectrum
findiso: findiso.
findMAIN: findMAIN.
GenerateMetaboliteSQLiteDB: GenerateMetaboliteSQLiteDB.
GetGroupFactor: GetGroupFactor.
GetIsotopeDistribution: GetIsotopeDistribution.
getRuleFromIonSymbol: Generate adduct rule from ion symbol
IMS_parallel: IMS_parallel.
InterpretMSSpectrum: Interpreting High-Res-MS spectra.
is.subformula: is.subformula.
mScore: mScore.
neutral_losses_APCI: neutral_losses_APCI
neutral_losses_ESI: neutral_losses_ESI
OrbiMS1: Orbitrap MS1 spectra
PlausibleFormula: PlausibleFormula.
PlotSpec: Plot Mass Spectrum.
RestrictByTypicalLosses: RestrictByTypicalLosses.
ScoreFormulaCombination: ScoreFormulaCombination.
sendToMSF: Exporting spectra to MSFinder.
writeMSF: writeMSF.

Functions

Adducts Man page
CountChemicalElements Man page Source code
DetermineIsomainPeaks Man page Source code
GenerateMetaboliteSQLiteDB Man page Source code
GetGroupFactor Man page Source code
GetIsotopeDistribution Man page Source code
IMS_parallel Man page Source code
InterpretMSSpectrum Man page Source code
OrbiMS1 Man page
PlausibleFormula Man page Source code
PlotSpec Man page Source code
RestrictByTypicalLosses Man page Source code
ScoreFormulaCombination Man page Source code
apci_spectrum Man page
chemical_elements Man page
esi_spectrum Man page
findMAIN Man page Source code
findiso Man page Source code
getRuleFromIonSymbol Man page Source code
is.subformula Man page Source code
mScore Man page Source code
neutral_losses_APCI Man page
neutral_losses_ESI Man page
plot.findMAIN Source code
print.findMAIN Source code
sendToMSF Man page Source code
sendToMSF.default Man page Source code
sendToMSF.findMAIN Man page Source code
summary.findMAIN Source code
writeMSF Man page Source code
writeMSF.default Man page Source code
writeMSF.findMAIN Man page Source code

Files

NAMESPACE
data
data/chemical_elements.RData
data/Adducts.RData
data/esi_spectrum.rda
data/OrbiMS1.RData
data/neutral_losses_ESI.rda
data/neutral_losses_APCI.rda
data/apci_spectrum.rda
R
R/PlausibleFormula.R
R/writeMSF.r
R/sendToMSF.r
R/GetGroupFactor.R
R/GenerateMetaboliteSQLiteDB.R
R/findMAIN.r
R/CountChemicalElements.R
R/mScore.R
R/GetIsotopeDistribution.R
R/InterpretMSSpectrum.R
R/PlotSpec.R
R/IMS_parallel.R
R/is.subformula.R
R/getRuleFromIonSymbol.R
R/DetermineIsomainPeaks.R
R/RestrictByTypicalLosses.R
R/findiso.R
R/ScoreFormulaCombination.R
MD5
DESCRIPTION
man
man/ScoreFormulaCombination.Rd
man/sendToMSF.Rd
man/CountChemicalElements.Rd
man/chemical_elements.Rd
man/PlotSpec.Rd
man/mScore.Rd
man/findMAIN.Rd
man/PlausibleFormula.Rd
man/GenerateMetaboliteSQLiteDB.Rd
man/Adducts.Rd
man/writeMSF.Rd
man/esi_spectrum.Rd
man/findiso.Rd
man/neutral_losses_APCI.Rd
man/DetermineIsomainPeaks.Rd
man/is.subformula.Rd
man/IMS_parallel.Rd
man/RestrictByTypicalLosses.Rd
man/GetGroupFactor.Rd
man/apci_spectrum.Rd
man/OrbiMS1.Rd
man/InterpretMSSpectrum.Rd
man/GetIsotopeDistribution.Rd
man/getRuleFromIonSymbol.Rd
man/neutral_losses_ESI.Rd
InterpretMSSpectrum documentation built on May 20, 2017, 3:30 a.m.